SCHEMBL2404161

SCHEMBL2404161

O=C(c1nccnc1-c1ccccc1)N(CCc1c[nH]c2cc(Cl)ccc12)CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.43
CDK4 P11802 5/20 0.39
CCND1 P24385 5/20 0.39
SLC6A4 P31645 1/20 0.39
MC4R P32245 2/20 0.39
MC5R P33032 2/20 0.39
MC3R P41968 2/20 0.39
CDK2 P24941 2/20 0.37
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
CCKBR P32239 1/20 0.36
AVPR1A P37288 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PIM1 P11309 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2406656 0.90 GPR84 (0.44) TACR2CDK4CCND1MC4RMC5R
SCHEMBL2405096 0.90 TACR2 (0.43) TACR2CDK4CCND1MC4RMC5R
SCHEMBL1968625 0.89 TACR2 (0.53) TACR2CDK4CCND1MC4RMC5R
SCHEMBL2405431 0.89 SLC6A4 (0.39) TACR2CDK4CCND1SLC6A4MC4R
SCHEMBL2409802 0.88 HTR6 (0.46) TACR2CDK4CCND1CDK2
SCHEMBL2405302 0.85 TACR2 (0.43) TACR2CDK4CCND1SLC6A4MC4R
SCHEMBL2405988 0.85 HTR1A (0.43) TACR2SLC6A4OPRM1
SCHEMBL1969998 0.83 CDK4 (0.51) TACR2CDK4CCND1MC4RMC5R
SCHEMBL2403866 0.83 KMT2A (0.50) CYP2D6CYP2C9
SCHEMBL1972300 0.82 CDK4 (0.49) TACR2CDK4CCND1MC4RMC5R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 TACR2 90/4885CDK4 3031/4885CCND1 3178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.